1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea

C16H15N3OS — CID 132547223

IUPAC1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea
SMILESCc1ccc(NC(=S)Nc2ccc3cc[nH]c3c2)c(O)c1
InChIInChI=1S/C16H15N3OS/c1-10-2-5-13(15(20)8-10)19-16(21)18-12-4-3-11-6-7-17-14(11)9-12/h2-9,17,20H,1H3,(H2,18,19,21)
InChIKeyYHVHLFIOGBXZKG-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.99
Rot. Bonds2

About 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea

1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea (PubChem CID 132547223) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea
PubChem CID132547223
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea
SMILESCc1ccc(NC(=S)Nc2ccc3cc[nH]c3c2)c(O)c1
InChIInChI=1S/C16H15N3OS/c1-10-2-5-13(15(20)8-10)19-16(21)18-12-4-3-11-6-7-17-14(11)9-12/h2-9,17,20H,1H3,(H2,18,19,21)
InChIKeyYHVHLFIOGBXZKG-UHFFFAOYSA-N
XLogP3.99
TPSA60.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-4-methylphenyl)-1H-indole-5-carboxamide
CID 63716979
hydron;6-methyl-1H-indole
CID 174894355
1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)thiourea
CID 910357
N-(1H-indol-6-yl)cycloheptanecarboxamide
CID 154864355
1-cyclohexyl-3-(2-hydroxy-4-methylphenyl)thiourea
CID 24614846
3-chloro-N-(1H-indol-6-ylcarbamothioyl)benzamide
CID 87472107
1-(1H-indazol-6-yl)-3-(3-methylphenyl)thiourea
CID 3437722
N-(1H-indol-6-yl)prop-2-enamide
CID 125475014
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)thiourea
CID 681237
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
1-(2-ethylphenyl)-3-(1H-indol-6-yl)urea
CID 17181458
1-(3-chloro-4-fluorophenyl)-3-(2-fluoro-4-methylphenyl)thiourea
CID 53364990

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea?
The IUPAC name of 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea (CID 132547223) is 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea.
What is the SMILES notation for 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea?
The canonical SMILES for 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea is Cc1ccc(NC(=S)Nc2ccc3cc[nH]c3c2)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea?
The InChIKey is YHVHLFIOGBXZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-2-5-13(15(20)8-10)19-16(21)18-12-4-3-11-6-7-17-14(11)9-12/h2-9,17,20H,1H3,(H2,18,19,21).
What are the key properties of 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea?
1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea has a molecular weight of 297.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylphenyl)-3-(1H-indol-6-yl)thiourea is sourced from PubChem (CID 132547223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).